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Compound Detail

CHEMBL1823628

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Cc1[nH]c(C(=O)O)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1823628
Phase Preclinical
Structure Type MOL
InChI Key BYTCBEJGORFCMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.8
MW (Da)
5.39
ALogP
4
HBA
2
HBD
88.6
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13ClF3NO5
MW 439.77
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
21824778 10.1016/j.bmcl.2011.07.044 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine